3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine

C7H9BrF3N3 — CID 83826049

IUPAC3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine
SMILESNCCCc1c(Br)n[nH]c1C(F)(F)F
InChIInChI=1S/C7H9BrF3N3/c8-6-4(2-1-3-12)5(13-14-6)7(9,10)11/h1-3,12H2,(H,13,14)
InChIKeySAWZGYLGOXREQO-UHFFFAOYSA-N
MW272.07 g/mol
LogP2.08
Rot. Bonds3

About 3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine

3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine (PubChem CID 83826049) has the molecular formula C7H9BrF3N3 and a molecular weight of 272.07 g/mol. Its IUPAC name is 3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine
PubChem CID83826049
Molecular FormulaC7H9BrF3N3
Molecular Weight272.07 g/mol
Exact Mass270.99
IUPAC Name3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine
SMILESNCCCc1c(Br)n[nH]c1C(F)(F)F
InChIInChI=1S/C7H9BrF3N3/c8-6-4(2-1-3-12)5(13-14-6)7(9,10)11/h1-3,12H2,(H,13,14)
InChIKeySAWZGYLGOXREQO-UHFFFAOYSA-N
XLogP2.08
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.07
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine (CID 83826049) is 3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine is NCCCc1c(Br)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine?
The InChIKey is SAWZGYLGOXREQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrF3N3/c8-6-4(2-1-3-12)5(13-14-6)7(9,10)11/h1-3,12H2,(H,13,14).
What are the key properties of 3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine?
3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine has a molecular weight of 272.07 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 83826049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).